3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

C14H8ClN9 — CID 137431777

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N
InChIInChI=1S/C14H8ClN9/c15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24)
InChIKeyQHIGOOMLGGGFDC-UHFFFAOYSA-N
MW337.73 g/mol
LogP1.91
Rot. Bonds2

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 137431777) has the molecular formula C14H8ClN9 and a molecular weight of 337.73 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
PubChem CID137431777
Molecular FormulaC14H8ClN9
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N
InChIInChI=1S/C14H8ClN9/c15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24)
InChIKeyQHIGOOMLGGGFDC-UHFFFAOYSA-N
XLogP1.91
TPSA145.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137430883
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
CID 137431183
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile
CID 137430278
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile
CID 137431806
3-amino-5-(2-chloro-4-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137431793
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
7-chloro-1H-indazole-5-carbonitrile
CID 66920531
3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137431293
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
CID 137431036
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (CID 137431777) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ncn[nH]2)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The InChIKey is QHIGOOMLGGGFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN9/c15-8-2-6(1-7-4-19-23-10(7)8)11-12(14-18-5-20-24-14)22-13(17)9(3-16)21-11/h1-2,4-5H,(H2,17,22)(H,19,23)(H,18,20,24).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 337.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).